1,3-dimethyl-4-prop-2-enylpiperidin-4-ol

C10H19NO — CID 4917707

IUPAC1,3-dimethyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)CCN(C)CC1C
InChIInChI=1S/C10H19NO/c1-4-5-10(12)6-7-11(3)8-9(10)2/h4,9,12H,1,5-8H2,2-3H3
InChIKeyMPESFAHJDPBCSL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds2

About 1,3-dimethyl-4-prop-2-enylpiperidin-4-ol

1,3-dimethyl-4-prop-2-enylpiperidin-4-ol (PubChem CID 4917707) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,3-dimethyl-4-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name1,3-dimethyl-4-prop-2-enylpiperidin-4-ol
PubChem CID4917707
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1,3-dimethyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)CCN(C)CC1C
InChIInChI=1S/C10H19NO/c1-4-5-10(12)6-7-11(3)8-9(10)2/h4,9,12H,1,5-8H2,2-3H3
InChIKeyMPESFAHJDPBCSL-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-prop-2-enylpiperidin-4-ol?
The IUPAC name of 1,3-dimethyl-4-prop-2-enylpiperidin-4-ol (CID 4917707) is 1,3-dimethyl-4-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 1,3-dimethyl-4-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 1,3-dimethyl-4-prop-2-enylpiperidin-4-ol is C=CCC1(O)CCN(C)CC1C.
What is the InChIKey of 1,3-dimethyl-4-prop-2-enylpiperidin-4-ol?
The InChIKey is MPESFAHJDPBCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-10(12)6-7-11(3)8-9(10)2/h4,9,12H,1,5-8H2,2-3H3.
What are the key properties of 1,3-dimethyl-4-prop-2-enylpiperidin-4-ol?
1,3-dimethyl-4-prop-2-enylpiperidin-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 4917707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).